Table 7 Comparison of prediction results of three features
From: Prediction of acid radical ion binding residues by K-nearest neighbors classifier
Ligand | Feature | Optimal k value | Sn (%) | Sp (%) | Acc (%) | FPR (%) | MCC |
|---|---|---|---|---|---|---|---|
NO2− | C | 77 | 57.1 | 76.5 | 66.8 | 23.5 | 0.343 |
P | 75 | 81.6 | 61.2 | 71.4 | 38.8 | 0.438 | |
R | 75 | 81.6 | 79.6 | 80.6 | 20.4 | 0.612 | |
CO32− | C | 35 | 63.6 | 59.5 | 61.6 | 40.5 | 0.231 |
P | 31 | 75.6 | 67.7 | 71.7 | 32.3 | 0.435 | |
R | 115 | 74.4 | 78.5 | 76.4 | 21.5 | 0.529 | |
SO42− | C | 25 | 66.0 | 61.7 | 63.9 | 38.3 | 0.277 |
P | 33 | 73.5 | 71.2 | 72.3 | 28.8 | 0.447 | |
R | 37 | 75.8 | 69.2 | 72.5 | 30.8 | 0.450 | |
PO43− | C | 71 | 69.1 | 66.3 | 67.7 | 33.7 | 0.355 |
P | 15 | 76.0 | 75.4 | 75.7 | 24.6 | 0.514 | |
R | 61 | 76.4 | 74.0 | 75.2 | 26.0 | 0.504 |